5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide

C14H14ClN3O2 — CID 77088849

IUPAC5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccn1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C14H14ClN3O2/c15-12-8-10(9-18-14(12)20)13(19)17-7-3-5-11-4-1-2-6-16-11/h1-2,4,6,8-9H,3,5,7H2,(H,17,19)(H,18,20)
InChIKeyBFMKTWZIWGJCQI-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.79
Rot. Bonds5

About 5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide

5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide (PubChem CID 77088849) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
PubChem CID77088849
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccn1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C14H14ClN3O2/c15-12-8-10(9-18-14(12)20)13(19)17-7-3-5-11-4-1-2-6-16-11/h1-2,4,6,8-9H,3,5,7H2,(H,17,19)(H,18,20)
InChIKeyBFMKTWZIWGJCQI-UHFFFAOYSA-N
XLogP1.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
CID 86781630
4,5,6-trimethyl-2-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 121498886
5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 64609007
5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 91761022
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
4,6-dimethyl-2-oxo-N-(4-pyridin-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 70761609
3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-N-(3-pyridin-2-ylpropyl)benzamide
CID 118772820
2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62236748
2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide (CID 77088849) is 5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide is O=C(NCCCc1ccccn1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide?
The InChIKey is BFMKTWZIWGJCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-12-8-10(9-18-14(12)20)13(19)17-7-3-5-11-4-1-2-6-16-11/h1-2,4,6,8-9H,3,5,7H2,(H,17,19)(H,18,20).
What are the key properties of 5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 77088849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).